BDBM50265975 (S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethoxyphenyl)-4-oxobutanamide::CHEMBL467750

SMILES: COc1ccc(OC)c(c1)C(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O

InChI Key: InChIKey=LFVRPJOMCAYKBG-KRWDZBQOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50265975   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calpain1 (Homo sapiens (Human))	BDBM50265975 ((S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,...) Show SMILES COc1ccc(OC)c(c1)C(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C22H24N2O6/c1-29-15-8-10-19(30-2)16(13-15)18(25)9-11-20(26)24-17(21(27)22(23)28)12-14-6-4-3-5-7-14/h3-8,10,13,17H,9,11-12H2,1-2H3,(H2,23,28)(H,24,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes mu-calpain				Bioorg Med Chem Lett 19: 502-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.030 BindingDB Entry DOI: 10.7270/Q2PK0H2S
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50265975 ((S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,...) Show SMILES COc1ccc(OC)c(c1)C(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C22H24N2O6/c1-29-15-8-10-19(30-2)16(13-15)18(25)9-11-20(26)24-17(21(27)22(23)28)12-14-6-4-3-5-7-14/h3-8,10,13,17H,9,11-12H2,1-2H3,(H2,23,28)(H,24,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes mu-calpain using Suc-Leu-Tyr-AMC fluorogenic substrate after 30 mins by spectrofluorimetery				Bioorg Med Chem Lett 21: 2850-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.077 BindingDB Entry DOI: 10.7270/Q27P8ZQQ
					More data for this Ligand-Target Pair